N2-phenylacetyl-O⁶-methoxycarbonylmethyl-2'-deoxyguanosine | 302584-95-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: N2-phenylacetyl-O⁶-methoxycarbonylmethyl-2'-deoxyguanosine
• 英文别名: methyl 2-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[(2-phenylacetyl)amino]purin-6-yl]oxyacetate
• CAS: 302584-95-8
• 化学式: C₂₁H₂₃N₅O₇
• 分子量: 457.443
• InChiKey: QAEZYSXQHCXDDE-SQWLQELKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N2-phenylacetyl-O⁶-methoxycarbonylmethyl-2'-deoxyguanosine 在 porcine liver esterase 作用下， 以 phosphate buffer 为溶剂， 生成 N2-phenylacetyl-O⁶-carboxymethyl-2'-deoxyguanosine
  参考文献：
  名称：

  Synthesis and Characterization of DNA Containing O6-Carboxymethylguanine

  摘要：

  O-6-Carboxymethylguanine was formed in DNA treated with N-nitrosoglycocholic acid and believed to be implicated in human gastrointestinal and colorectal tumour. An efficient method is presented here for synthesis of oligodeoxynucleotides containing O-6-carboxymethylguanine at pre-determined positions. The synthetic protocol also allows for production of oligomers containing O-6-aminocarbonylmethylguanine. These guanine-modified oligomers have been fully characterized and could provide a useful tool for biological studies of these modified bases. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00556-1
• 作为产物：
  描述：

  在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 N2-phenylacetyl-O⁶-methoxycarbonylmethyl-2'-deoxyguanosine
  参考文献：
  名称：

  Synthesis and Characterization of DNA Containing O6-Carboxymethylguanine

  摘要：

  O-6-Carboxymethylguanine was formed in DNA treated with N-nitrosoglycocholic acid and believed to be implicated in human gastrointestinal and colorectal tumour. An efficient method is presented here for synthesis of oligodeoxynucleotides containing O-6-carboxymethylguanine at pre-determined positions. The synthetic protocol also allows for production of oligomers containing O-6-aminocarbonylmethylguanine. These guanine-modified oligomers have been fully characterized and could provide a useful tool for biological studies of these modified bases. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00556-1